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| 中文名 | 1,5-二甲基-1H-吡唑-3-甲醇 |
|---|---|
| 英文名 | (1,5-dimethylpyrazol-3-yl)methanol |
| 中文别名 |
(1,5-二甲基-1H-吡唑-3-基)甲醇
(1,5-二甲基-1H-吡唑)甲醇 |
| 英文别名 |
1H-Pyrazole-3-methanol,1,5-dimethyl
MFCD03659702 (1,5-Dimethyl-1H-pyrazol-3-yl)methanol 1,5-Dimethyl-1H-pyrazol-3-yl-methanol 1H-Pyrazole-3-methanol, 1,5-dimethyl- 1-methyl-3-hydroxymethyl-5-methylpyrazole |
| 密度 | 1.1±0.1 g/cm3 |
|---|---|
| 沸点 | 248.6±25.0 °C at 760 mmHg |
| 熔点 | 50ºC |
| 分子式 | C6H10N2O |
| 分子量 | 126.156 |
| 闪点 | 104.1±23.2 °C |
| 精确质量 | 126.079315 |
| PSA | 38.05000 |
| LogP | -0.56 |
| 蒸汽压 | 0.0±0.5 mmHg at 25°C |
| 折射率 | 1.543 |
| 储存条件 | 2-8°C，保存于惰性气体中 |
| 分子结构 | 1、 摩尔折射率：35.13 2、 摩尔体积（cm3/mol）：111.3 3、 等张比容（90.2K）：275.7 4、 表面张力（dyne/cm）：37.5 5、 极化率（10-24cm3）：13.92 |
| 计算化学 | 1.疏水参数计算参考值（XlogP）:-0.2 2.氢键供体数量:1 3.氢键受体数量:2 4.可旋转化学键数量:1 5.互变异构体数量:无 6.拓扑分子极性表面积38 7.重原子数量:9 8.表面电荷:0 9.复杂度:97.1 10.同位素原子数量:0 11.确定原子立构中心数量:0 12.不确定原子立构中心数量:0 13.确定化学键立构中心数量:0 14.不确定化学键立构中心数量:0 15.共价键单元数量:1 |
| 更多 | 1.沸点（2 mm Hg,ºC）：118 2. 熔点（ºC）：50 |
Synonym: Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
Risk Phrases: 36/37/38 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW
Irritating to eyes, respiratory system and skin. Potential Health Effects Eye: Causes eye irritation. Skin: Causes skin irritation. May be harmful if absorbed through the skin. Ingestion: May cause irritation of the digestive tract. May be harmful if swallowed. Inhalation: Causes respiratory tract irritation. May be harmful if inhaled. Chronic: Not available. Section 4 - FIRST AID MEASURES Eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid. Skin: Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Ingestion: Get medical aid. Wash mouth out with water. Inhalation: Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid. Notes to Physician: Treat symptomatically and supportively. Section 5 - FIRE FIGHTING MEASURES General Information: As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. Extinguishing Media: Use water spray, dry chemical, carbon dioxide, or chemical foam. Section 6 - ACCIDENTAL RELEASE MEASURES General Information: Use proper personal protective equipment as indicated in Section 8. Spills/Leaks: Absorb spill with inert material (e.g. vermiculite, sand or earth), then place in suitable container. Section 7 - HANDLING and STORAGE Handling: Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes. Storage: Store in a cool, dry place. Store in a tightly closed container. Store under nitrogen. Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION Engineering Controls: Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low. Exposure Limits CAS# 153912-60-8: Personal Protective Equipment Eyes: Not available. Skin: Wear appropriate protective gloves to prevent skin exposure. Clothing: Wear appropriate protective clothing to prevent skin exposure. Respirators: Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced. Section 9 - PHYSICAL AND CHEMICAL PROPERTIES Physical State: Liquid Color: white Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: 118 deg C @2mmHg Freezing/Melting Point: Not available. Autoignition Temperature: Not available. Flash Point: Not available. Explosion Limits, lower: Not available. Explosion Limits, upper: Not available. Decomposition Temperature: Solubility in water: Specific Gravity/Density: Molecular Formula: C6H10N2O Molecular Weight: 126.16 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Not available. Conditions to Avoid: Incompatible materials. Incompatibilities with Other Materials: Oxidizing agents, acids, acid chlorides, halogenated agents, halogens. Hazardous Decomposition Products: Nitrogen oxides, carbon monoxide, carbon dioxide. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 153912-60-8 unlisted. LD50/LC50: Not available. Carcinogenicity: (1,5-Dimethyl-1H-pyrazol-3-yl)methanol - Not listed by ACGIH, IARC, or NTP. Section 12 - ECOLOGICAL INFORMATION Section 13 - DISPOSAL CONSIDERATIONS Dispose of in a manner consistent with federal, state, and local regulations. Section 14 - TRANSPORT INFORMATION IATA No information available. IMO No information available. RID/ADR No information available. Section 15 - REGULATORY INFORMATION European/International Regulations European Labeling in Accordance with EC Directives Hazard Symbols: XI Risk Phrases: R 36/37/38 Irritating to eyes, respiratory system and skin. Safety Phrases: S 26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 37/39 Wear suitable gloves and eye/face protection. WGK (Water Danger/Protection) CAS# 153912-60-8: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 153912-60-8 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 153912-60-8 is not listed on the TSCA inventory. It is for research and development use only. SECTION 16 - ADDITIONAL INFORMATION N/A |
| 危害码 (欧洲) | Xi: Irritant; |
|---|---|
| 风险声明 (欧洲) | R36/37/38 |
| 安全声明 (欧洲) | 26-36/37/39 |
| 海关编码 | 2933199090 |
|
~85%
153912-60-8 |
| 文献：Chabert-Couchouron, Nathalie; Reibel, Corine; Marzin, Claude; Tarrago, Georges Anales de Quimica, 1996 , vol. 92, # 2 p. 70 - 78 |
|
~%
153912-60-8 |
| 文献：Organic Letters, , vol. 13, # 6 p. 1436 - 1439 |
|
~%
153912-60-8 |
| 文献：Medicinal Chemistry Research, , vol. 21, # 10 p. 2772 - 2778,7 |
| 海关编码 | 2933199090 |
|---|---|
| 中文概述 | 2933199090. 其他结构上有非稠合吡唑环化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0% |
| 申报要素 | 品名, 成分含量, 用途, 乌洛托品请注明外观, 6－己内酰胺请注明外观, 签约日期 |
| Summary | 2933199090. other compounds containing an unfused pyrazole ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
